Information card for entry 4324469

Structure parameters

• Formula: C27 H43 Bi N4
• Calculated formula: C27 H43 Bi N4
• SMILES: [Bi]123([N](Cc4c3c(ccc4)CN(C)C)(C)C)([N](Cc3c2c(ccc3)C[N]1(C)C)(C)C)CC=C
• Title of publication: Bismuth Coordination Chemistry with Allyl, Alkoxide, Aryloxide, and Tetraphenylborate Ligands and the {[2,6-(Me2NCH2)2C6H3]2Bi}+ Cation
• Authors of publication: Ian J. Casely; Joseph W. Ziller; Bruce J. Mincher; William J. Evans
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1513 - 1520
• a: 9.9777 ± 0.0005 Å
• b: 17.5299 ± 0.0009 Å
• c: 16.9668 ± 0.0008 Å
• α: 90°
• β: 106.725 ± 0.0005°
• γ: 90°
• Cell volume: 2842.1 ± 0.2 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No